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Home Sulfos Diethylene glycol bis(p-toluenesulfonate)

Diethylene glycol bis(p-toluenesulfonate)

CAS No.:
7460-82-4
Catalog Number:
AG0034QJ
Molecular Formula:
C18H22O7S2
Molecular Weight:
414.4931
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$100
- +
100g
95%
In Stock USA
United States
$269
- +
Product Description
Catalog Number:
AG0034QJ
Chemical Name:
Diethylene glycol bis(p-toluenesulfonate)
CAS Number:
7460-82-4
Molecular Formula:
C18H22O7S2
Molecular Weight:
414.4931
MDL Number:
MFCD00026001
IUPAC Name:
2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C18H22O7S2/c1-15-3-7-17(8-4-15)26(19,20)24-13-11-23-12-14-25-27(21,22)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
InChI Key:
VYVPNTJBGPQTFA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OCCOCCOS(=O)(=O)c1ccc(cc1)C
NSC Number:
404215
Properties
Complexity:
562  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.081g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.487g/mol
Monoisotopic Mass:
414.081g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
12,12'-[2,2'-Oxybis(ethane-2,1-di-yl)bis-(-oxy)]bis-[(R(p))-4-bromo-[2.2]paracyclo-phane]. Acta crystallographica. Section E, Structure reports online 20110401
Properties